Complexes after comparative docking

Receptor: model based on 1B0U chain:A
& Ligands found in homologous templates


Theoretical pKd : [ ‹nMol | ‹μMol | ‹mMol | ›mMol] - Values:

Score for Scwrl (Unconserved side chains of binding site are recalculated) model :

Result RMS (ca) pKd Avg. Q PSim Ligand Name : Origin Transfer
ATP_A_5 0.000 5.3 0.82 100.0 ADENOSINE-5 -TRIPHOSPHATE 1B0U Raw